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Title: Single Crystal Growth, Resistivity, and Electronic Structure of the Weyl Semimetals NbP and TaP

Abstract

We have successfully synthesized niobium monophosphide and tantalum monophosphide crystals by a chemical vapor transport technique. We report resistivity vs. temperature of both materials in the temperature range from 2 K to 300 K. We have also performed electronic structure calculations and present the band structure and density of states of these two compounds. The calculations show that both compounds are semimetals, as their conduction and valence bands overlap near the Fermi energy.

Authors:
 [1];  [2];  [3]
  1. Univ. of Tennessee, Knoxville, TN (United States). Department of Physics and Astronomy
  2. Univ. of Tennessee, Knoxville, TN (United States). Department of Materials Science and Engineering
  3. Univ. of Tennessee, Knoxville, TN (United States). Department of Physics and Astronomy; Univ. of Tennessee, Knoxville, TN (United States). Department of Materials Science and Engineering; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1356967
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Crystals
Additional Journal Information:
Journal Volume: 6; Journal Issue: 12; Journal ID: ISSN 2073-4352
Publisher:
MDPI
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; phosphide; Weyl semimetal; chemical vapor transport; density functional theory; resistivity

Citation Formats

Sapkota, Deepak, Mukherjee, Rupam, and Mandrus, David. Single Crystal Growth, Resistivity, and Electronic Structure of the Weyl Semimetals NbP and TaP. United States: N. p., 2016. Web. doi:10.3390/cryst6120160.
Sapkota, Deepak, Mukherjee, Rupam, & Mandrus, David. Single Crystal Growth, Resistivity, and Electronic Structure of the Weyl Semimetals NbP and TaP. United States. doi:10.3390/cryst6120160.
Sapkota, Deepak, Mukherjee, Rupam, and Mandrus, David. Tue . "Single Crystal Growth, Resistivity, and Electronic Structure of the Weyl Semimetals NbP and TaP". United States. doi:10.3390/cryst6120160. https://www.osti.gov/servlets/purl/1356967.
@article{osti_1356967,
title = {Single Crystal Growth, Resistivity, and Electronic Structure of the Weyl Semimetals NbP and TaP},
author = {Sapkota, Deepak and Mukherjee, Rupam and Mandrus, David},
abstractNote = {We have successfully synthesized niobium monophosphide and tantalum monophosphide crystals by a chemical vapor transport technique. We report resistivity vs. temperature of both materials in the temperature range from 2 K to 300 K. We have also performed electronic structure calculations and present the band structure and density of states of these two compounds. The calculations show that both compounds are semimetals, as their conduction and valence bands overlap near the Fermi energy.},
doi = {10.3390/cryst6120160},
journal = {Crystals},
number = 12,
volume = 6,
place = {United States},
year = {2016},
month = {12}
}

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865